ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate

C15H22O4 — CID 79308120

IUPACethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
SMILESCCOC(=O)C(C)(O)C(C)Cc1ccccc1OC
InChIInChI=1S/C15H22O4/c1-5-19-14(16)15(3,17)11(2)10-12-8-6-7-9-13(12)18-4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyFIFRDOPCPVSFQK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.19
Rot. Bonds6

About ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate

ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate (PubChem CID 79308120) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
PubChem CID79308120
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
SMILESCCOC(=O)C(C)(O)C(C)Cc1ccccc1OC
InChIInChI=1S/C15H22O4/c1-5-19-14(16)15(3,17)11(2)10-12-8-6-7-9-13(12)18-4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyFIFRDOPCPVSFQK-UHFFFAOYSA-N
XLogP2.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate
CID 79298689
ethyl (2R,3S)-3-amino-4-(2-methoxyphenyl)-2-methylbutanoate
CID 124526085
2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid
CID 83051163
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
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4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid
CID 114495157
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189
ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate
CID 106487540

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate?
The IUPAC name of ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate (CID 79308120) is ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate.
What is the SMILES notation for ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate?
The canonical SMILES for ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate is CCOC(=O)C(C)(O)C(C)Cc1ccccc1OC.
What is the InChIKey of ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate?
The InChIKey is FIFRDOPCPVSFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-19-14(16)15(3,17)11(2)10-12-8-6-7-9-13(12)18-4/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate?
ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate has a molecular weight of 266.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate is sourced from PubChem (CID 79308120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).